Molecule

ID:38050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₄S
Molecular Mass
284.2635632
Exact Mass
284.026706
Charge
0
InChI
InChI=1S/C11H9FN2O4S/c1-14-10(11(15)16)6-9(13-19(14,17)18)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKey
MZAKUDDHJPSVCL-UHFFFAOYSA-N
Canonic Smiles
CN1C(=CC(=NS1(=O)=O)c1ccc(cc1)F)C(=O)O
Isomeric Smiles
S1(=O)(=O)N(C(=CC(=N1)c1ccc(cc1)F)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2308211
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6153084
LogD (pH = 7.4)
-2.8068776
Log P
0.6329833
Molar Refractivity
65.9387
Polarizability
24.988913
Polar Surface Area
87.04
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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